TAS 301 - ≥99%(HPLC) , CAS No.193620-69-8

CAS: 193620-69-8 Cat. No.: T288922 Formule: C₂₃H₁₉NO₃ Poids moléculaire: 357.4 PubChem CID: 9885087

GRADE & PURITY ≥99%(HPLC)

Synonyms

HY-18965 | DTXSID80432401 | FT-0700251 | 2,2-Dimethylcyclohexanone, 92% | 3-[bis-(4-methoxy-phenyl)-methylene]-1,3-dihydro-indol-2-one | CHEBI:92970 | Tas 301 | AKOS024458201 | 3-[bis(4-methoxyphenyl)methylene]-oxindole | 3-[BIS(4-METHOXYPHENYL)METHYLIDEN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

HY-18965 | DTXSID80432401 | FT-0700251 | 2,2-Dimethylcyclohexanone, 92% | 3-[bis-(4-methoxy-phenyl)-methylene]-1,3-dihydro-indol-2-one | CHEBI:92970 | Tas 301 | AKOS024458201 | 3-[bis(4-methoxyphenyl)methylene]-oxindole | 3-[BIS(4-METHOXYPHENYL)METHYLIDEN

Spécifications et pureté

≥99%(HPLC)

Mécanismes biochimiques et physiologiques

Inhibitor of smooth muscle cell migration and proliferation. Blocks voltage-independent calcium influx and downstream PKC signaling. Inhibits neointimal thickening after balloon catheter injury to the rat common carotid artery.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%(HPLC)

Noms et identifiants

Pubchem Sid

504765044

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765044

Sourires canoniques

COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC

IUPAC Name

3-[bis(4-methoxyphenyl)methylidene]-1H-indol-2-one

InChIKey

KUEYYIJXBRWZIB-UHFFFAOYSA-N

INCHI

1S/C23H19NO3/c1-26-17-11-7-15(8-12-17)21(16-9-13-18(27-2)14-10-16)22-19-5-3-4-6-20(19)24-23(22)25/h3-14H,1-2H3,(H,24,25)

Isomères SMILES

COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC

WGK Allemagne

3

PubChem CID

9885087

Poids moléculaire

357.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Indolines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Indole or derivatives - Dihydroindole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 35.74, Max Conc. mM: 100
• Poids moléculaire: 357.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 357.136 Da
• Monoisotopic Mass: 357.136 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 193620-69-8, the molecular formula is C23H19NO3, and the molecular weight is 357.4 g/mol. InChIKey KUEYYIJXBRWZIB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.